16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone

Names

[ CAS No. ]:
337-68-8

[ Name ]:
16-beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone

[Synonym ]:
[3-[5-[5-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-4-hydroxy-6-methyloxan-2-yl]oxy-4-hydroxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] formate
[3-[5-[5-(4,5-dihydroxy-6-methyl-oxan-2-yl)oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-6-methyl-oxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] methanoate
O16-Formyl-gitoxin
16-Formylgitoxin
formic acid [3-[5-[5-(4,5-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-hydroxy-17-(5-keto-2H-furan-3-yl)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] ester

Chemical & Physical Properties

[ Density]:
1.27g/cm3

[ Boiling Point ]:
574.6ºC at 760 mmHg

[ Molecular Formula ]:
C₂₁H₂₄O₄

[ Molecular Weight ]:
340.41300

[ Flash Point ]:
253.6ºC

[ Exact Mass ]:
340.16700

[ PSA ]:
60.44000

[ LogP ]:
3.15900

[ Index of Refraction ]:
1.594

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TU4156000

CHEMICAL NAME :: Pregna-4,17(20)-dien-21-oic acid, 16-beta-hydroxy-3,11-dioxo-, gamma-lactone

CAS REGISTRY NUMBER :: 337-68-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C21-H24-O4

MOLECULAR WEIGHT :: 340.45

WISWESSER LINE NOTATION :: T F5 E5 B666 CV HVO RV PU JH&TTTTJ A1 E1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 79 mg/kg

TOXIC EFFECTS :: Tumorigenic - active as anti-cancer agent

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 7,348,1964

Related Compounds

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.